Information card for entry 4349025

Structure parameters

• Chemical name: 2-Co
• Formula: C140 H136 Co8 N4 O42 S8
• Calculated formula: C140 H120 Co8 N4 O42 S8
• Title of publication: Designing structurally tunable and functionally versatile synthetic supercontainers
• Authors of publication: Dai, Feng-Rong; Qiao, Yupu; Wang, Zhenqiang
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 243
• a: 17.1548 ± 0.0012 Å
• b: 17.1548 ± 0.0012 Å
• c: 37.599 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11064.9 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 128
• Hermann-Mauguin space group symbol: P 4/m n c
• Hall space group symbol: -P 4 2n
• Residual factor for all reflections: 0.1136
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.2373
• Weighted residual factors for all reflections included in the refinement: 0.2622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No